2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid

C12H16N2O4 — CID 63651997

IUPAC2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid
SMILESCCCOCCC(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-2-7-18-8-5-10(15)14-11-9(12(16)17)4-3-6-13-11/h3-4,6H,2,5,7-8H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyIAOMOZRJOSDUKU-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.53
Rot. Bonds7

About 2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid

2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid (PubChem CID 63651997) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid
PubChem CID63651997
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid
SMILESCCCOCCC(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C12H16N2O4/c1-2-7-18-8-5-10(15)14-11-9(12(16)17)4-3-6-13-11/h3-4,6H,2,5,7-8H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyIAOMOZRJOSDUKU-UHFFFAOYSA-N
XLogP1.53
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid
CID 63654084
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813
2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid
CID 23151222
2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid
CID 63652524
4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid
CID 63651324
2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]pyridine-3-carboxylic acid
CID 66695427
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
CID 156529146
2-(2-methylbutanoylamino)pyridine-3-carboxylic acid
CID 63654439
N-(3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103725412
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204
2-[3-(furan-2-yl)propanoylamino]pyridine-3-carboxylic acid
CID 63652519

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid (CID 63651997) is 2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid is CCCOCCC(=O)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid?
The InChIKey is IAOMOZRJOSDUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-7-18-8-5-10(15)14-11-9(12(16)17)4-3-6-13-11/h3-4,6H,2,5,7-8H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid?
2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxypropanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63651997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).